CID 63933

Brn 4492183

Structural Information

Molecular Formula
C14H13N3O2
SMILES
CCC1=NC2=CC=CC=C2C(=O)N1C3=CC(=NO3)C
InChI
InChI=1S/C14H13N3O2/c1-3-12-15-11-7-5-4-6-10(11)14(18)17(12)13-8-9(2)16-19-13/h4-8H,3H2,1-2H3
InChIKey
HEODOZQRFGSFLN-UHFFFAOYSA-N
Compound name
2-ethyl-3-(3-methyl-1,2-oxazol-5-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10077 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 156.4
[M+Na]+ 278.08999 169.5
[M-H]- 254.09349 162.2
[M+NH4]+ 273.13459 171.5
[M+K]+ 294.06393 165.6
[M+H-H2O]+ 238.09803 147.5
[M+HCOO]- 300.09897 178.3
[M+CH3COO]- 314.11462 170.0
[M+Na-2H]- 276.07544 163.0
[M]+ 255.10022 162.2
[M]- 255.10132 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.